n-Hexadecyltrimethyl-d9-ammonium bromide

CAS
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CAS
95217-14-4
Size
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Purity
99 atom % D
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Availability
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Catalog Number

ACM95217144

Product Name

n-Hexadecyltrimethyl-d9-ammonium bromide

CAS

95217-14-4

Category

Heterocyclic Organic Compound

Synonyms

Hexadecyltrimethylammonium bromide-D9

IUPAC Name

hexadecyl-tris(trideuteriomethyl)azanium;bromide

Molecular Weight

373.51

Molecular Formula

C19H33D9BrN

Canonical SMILES

C1CN=C(N1)NN=CC2=C3C=CC=CC3=C(C4=CC=CC=C42)C=NNC5=NCCN5

InChI

InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1/i2D3,3D3,4D3;

InChI Key

LZZYPRNAOMGNLH-WWMMTMLWSA-M

Chemical Formula

CH3(CH2)15N(CD3)3Br

Complexity

181

Exact Mass

372.30655

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isomeric SMILES

[2H]C([2H])([2H])[N+](CCCCCCCCCCCCCCCC)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Br-]

Monoisotopic Mass

372.30655

Rotatable Bond Count

Stability

Stable if stored under recommended conditions. After three years, the compound should be re-analyzed for chemical purity before use.

Storage Conditions

Room temperature

Topological Polar Surface Area

0 Å²

MSDS

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COA

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Spec Sheet

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